==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-07 2QQF . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE HST2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.MARMORSTEIN,B.D.SANDERS,K.ZHAO,J.SLAMA . 297 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 2 0 2 0 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -2 A M 0 0 123 0, 0.0 97,-0.1 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 -27.1 33.2 49.4 18.4 2 -1 A A - 0 0 102 1,-0.1 2,-0.2 96,-0.0 267,-0.1 -0.122 360.0-177.5 -46.5 134.1 30.9 52.0 16.7 3 0 A S - 0 0 42 265,-0.1 2,-0.3 266,-0.1 -1,-0.1 -0.755 16.7-158.9-130.7 178.7 32.0 55.5 17.5 4 1 A M - 0 0 149 -2,-0.2 262,-0.2 1,-0.0 265,-0.2 -0.979 35.5 -82.1-155.1 157.9 31.0 59.1 17.0 5 2 A S - 0 0 44 -2,-0.3 260,-0.1 1,-0.1 3,-0.1 -0.094 32.2-132.3 -56.7 162.8 32.6 62.6 17.1 6 3 A V S S+ 0 0 54 258,-0.3 2,-0.3 3,-0.2 -1,-0.1 0.578 85.5 9.0 -97.0 -13.4 32.9 64.3 20.5 7 4 A S S S- 0 0 58 2,-0.4 -1,-0.1 257,-0.1 -2,-0.0 -0.890 85.8 -99.2-151.6 174.1 31.5 67.7 19.4 8 5 A T S S+ 0 0 151 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 0.755 95.3 104.1 -73.0 -22.0 29.8 69.0 16.3 9 6 A A S S- 0 0 61 1,-0.1 -2,-0.4 2,-0.0 -3,-0.2 -0.386 75.3-129.0 -61.4 127.9 33.3 70.3 15.4 10 7 A S - 0 0 83 -2,-0.1 4,-0.1 1,-0.1 -1,-0.1 -0.560 23.4-175.8 -81.1 144.3 34.9 68.2 12.7 11 8 A T > + 0 0 16 -2,-0.2 4,-2.3 2,-0.1 5,-0.2 0.247 56.9 103.0-120.5 8.1 38.5 67.0 13.3 12 9 A E H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 78.7 53.7 -60.6 -38.5 39.0 65.3 9.9 13 10 A M H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.928 110.0 46.4 -64.4 -44.7 41.1 68.1 8.6 14 11 A S H > S+ 0 0 36 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.913 115.0 47.1 -63.1 -41.4 43.5 68.0 11.5 15 12 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.835 104.5 63.1 -67.3 -31.8 43.6 64.2 11.2 16 13 A R H X S+ 0 0 136 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.900 97.9 55.8 -58.4 -43.3 44.2 64.7 7.4 17 14 A K H X S+ 0 0 125 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.872 102.1 56.2 -57.7 -40.8 47.5 66.5 8.2 18 15 A I H X S+ 0 0 3 -4,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.940 110.6 43.6 -57.9 -48.1 48.7 63.5 10.1 19 16 A A H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.858 111.6 55.9 -65.5 -35.4 48.1 61.3 7.0 20 17 A A H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 106.5 49.0 -61.6 -48.5 49.7 64.0 4.9 21 18 A H H X S+ 0 0 41 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.833 112.1 49.5 -60.8 -34.0 52.9 63.9 7.0 22 19 A M H < S+ 0 0 22 -4,-1.6 6,-0.3 -5,-0.2 -1,-0.2 0.848 109.8 50.3 -73.9 -35.4 53.0 60.1 6.7 23 20 A K H < S+ 0 0 126 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 111.2 49.2 -68.9 -38.5 52.6 60.3 2.9 24 21 A S H < S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.914 119.0 38.6 -65.7 -44.8 55.4 62.8 2.6 25 22 A N S >< S+ 0 0 28 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.3 -0.671 71.9 164.1-108.0 74.4 57.7 60.7 4.8 26 23 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.828 72.6 53.5 -60.3 -37.2 56.9 57.1 3.6 27 24 A N T 3 S+ 0 0 132 2,-0.0 2,-0.2 84,-0.0 -5,-0.0 0.220 92.5 102.9 -85.4 15.0 60.0 55.5 5.1 28 25 A A < - 0 0 16 -3,-1.4 2,-0.3 -6,-0.3 185,-0.1 -0.512 57.1-148.4 -96.1 165.8 59.2 56.9 8.6 29 26 A K - 0 0 60 183,-0.2 186,-1.1 -2,-0.2 2,-0.3 -0.870 11.4-123.3-129.4 163.8 57.7 55.2 11.6 30 27 A V E -ab 112 215A 2 81,-2.8 83,-2.7 -2,-0.3 84,-1.2 -0.822 6.6-150.1-113.1 148.7 55.5 56.4 14.5 31 28 A I E -ab 114 216A 0 184,-1.8 186,-1.4 -2,-0.3 2,-0.3 -0.966 18.1-158.9-116.5 114.3 56.0 56.2 18.3 32 29 A F E -ab 115 217A 0 82,-2.7 84,-3.1 -2,-0.5 2,-0.4 -0.663 12.2-173.8 -94.0 150.8 52.8 55.9 20.3 33 30 A M E +ab 116 218A 2 184,-1.6 186,-2.5 -2,-0.3 2,-0.2 -0.927 23.0 173.2-140.9 109.8 52.5 56.9 24.0 34 31 A V E -ab 117 219A 0 82,-2.7 84,-1.6 -2,-0.4 186,-0.2 -0.762 16.2-177.4-124.4 170.1 49.0 55.9 25.4 35 32 A G > - 0 0 0 184,-1.4 3,-1.8 -2,-0.2 4,-0.2 -0.737 54.8 -52.4-144.3-167.5 47.0 55.8 28.6 36 33 A A G >> S+ 0 0 57 1,-0.3 3,-1.4 -2,-0.2 4,-0.6 0.642 115.1 75.7 -50.3 -24.1 43.6 54.7 30.0 37 34 A G G >4 S+ 0 0 28 183,-2.9 3,-0.9 1,-0.3 4,-0.4 0.884 88.7 57.4 -59.8 -39.1 41.6 56.8 27.5 38 35 A I G <4 S+ 0 0 0 -3,-1.8 62,-0.3 182,-0.4 -1,-0.3 0.565 109.7 45.2 -71.8 -5.8 42.3 54.2 24.7 39 36 A S G X4>S+ 0 0 4 -3,-1.4 3,-1.3 -4,-0.2 5,-0.9 0.421 83.3 91.6-114.8 -0.6 40.7 51.4 26.8 40 37 A T G X<5S+ 0 0 97 -3,-0.9 3,-2.1 -4,-0.6 -2,-0.1 0.916 82.8 57.4 -61.6 -43.3 37.5 53.1 28.1 41 38 A S G 3 5S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.613 94.3 71.3 -64.4 -8.1 35.4 51.9 25.1 42 39 A C G < 5S- 0 0 24 -3,-1.3 53,-0.4 2,-0.1 -1,-0.3 0.527 113.7-112.3 -85.2 -6.0 36.4 48.4 26.1 43 40 A G T < 5 + 0 0 51 -3,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.535 59.1 158.6 88.3 5.8 34.2 48.4 29.2 44 41 A I < - 0 0 41 -5,-0.9 -1,-0.3 -4,-0.1 2,-0.2 -0.516 42.6-124.1 -66.3 117.8 37.1 48.4 31.7 45 42 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.441 14.5-127.4 -68.9 131.8 35.6 49.7 34.9 46 43 A D > - 0 0 60 -2,-0.2 3,-1.8 1,-0.1 6,-0.4 -0.710 9.9-154.4 -81.6 116.3 37.4 52.7 36.5 47 44 A F T 3 S+ 0 0 30 -2,-0.6 -1,-0.1 1,-0.3 11,-0.1 0.673 94.8 58.3 -64.8 -16.8 38.2 51.9 40.1 48 45 A R T 3 S+ 0 0 125 18,-0.1 -1,-0.3 17,-0.1 19,-0.0 0.491 90.2 90.1 -90.3 -4.7 38.2 55.7 40.8 49 46 A S X - 0 0 43 -3,-1.8 3,-1.6 1,-0.1 6,-0.4 -0.842 67.5-149.0-101.2 123.6 34.6 56.1 39.6 50 47 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.487 94.8 71.0 -63.7 -1.1 31.6 55.7 42.0 51 48 A G T 3 S+ 0 0 69 -5,-0.2 2,-0.2 4,-0.0 -4,-0.1 0.790 83.1 78.3 -86.5 -29.5 29.7 54.4 39.0 52 49 A T S <> S- 0 0 23 -3,-1.6 4,-1.0 -6,-0.4 3,-0.0 -0.484 76.6-135.8 -80.6 150.6 31.5 51.1 38.7 53 50 A G H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.754 104.5 66.4 -74.6 -24.9 30.8 48.1 41.0 54 51 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.941 97.8 53.0 -59.5 -46.7 34.5 47.6 41.4 55 52 A Y H > S+ 0 0 68 -6,-0.4 4,-2.7 -9,-0.3 -1,-0.2 0.899 108.9 50.1 -54.1 -46.0 34.7 51.0 43.2 56 53 A H H X S+ 0 0 73 -4,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.798 106.8 50.8 -68.0 -33.0 32.0 49.9 45.7 57 54 A N H X S+ 0 0 65 -4,-1.7 4,-2.8 -3,-0.3 -1,-0.2 0.873 112.9 49.8 -71.7 -33.9 33.4 46.6 46.7 58 55 A L H <>S+ 0 0 4 -4,-1.9 5,-2.0 -5,-0.2 -2,-0.2 0.957 110.1 48.8 -65.6 -50.1 36.7 48.5 47.3 59 56 A A H ><5S+ 0 0 51 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.908 113.1 48.8 -56.8 -42.0 34.9 51.1 49.4 60 57 A R H 3<5S+ 0 0 166 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.943 102.0 60.1 -64.6 -46.2 33.2 48.3 51.3 61 58 A L T 3<5S- 0 0 53 -4,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.361 121.4-111.4 -64.5 11.1 36.5 46.4 51.9 62 59 A K T < 5 + 0 0 183 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.724 53.3 171.5 65.3 27.1 37.4 49.6 53.7 63 60 A L < - 0 0 17 -5,-2.0 -1,-0.2 1,-0.2 6,-0.0 -0.540 33.1-138.0 -65.8 128.3 40.0 50.8 51.2 64 61 A P S S- 0 0 84 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.761 74.6 -18.9 -60.4 -29.7 40.9 54.3 52.3 65 62 A Y S > S- 0 0 125 1,-0.2 3,-1.8 -7,-0.0 4,-0.3 -0.913 75.3 -92.0-174.5 151.6 41.0 55.7 48.8 66 63 A P G > S+ 0 0 38 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.855 115.2 49.3 -36.0 -71.3 41.3 54.5 45.1 67 64 A E G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 120,-0.2 0.583 91.2 81.7 -55.4 -9.0 45.0 54.6 44.4 68 65 A A G X S+ 0 0 1 -3,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.707 75.0 73.6 -70.4 -17.0 45.8 52.8 47.6 69 66 A V G < S+ 0 0 2 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.698 101.2 44.6 -68.3 -15.6 45.0 49.5 45.8 70 67 A F G < S+ 0 0 11 -3,-1.5 117,-2.1 -4,-0.2 2,-0.5 -0.186 90.6 113.7-117.5 36.2 48.3 50.1 44.1 71 68 A D B <> -f 187 0B 46 -3,-1.6 4,-2.8 115,-0.2 5,-0.2 -0.950 59.1-147.8-113.9 122.1 50.2 51.0 47.3 72 69 A V H > S+ 0 0 35 115,-0.8 4,-2.3 -2,-0.5 5,-0.2 0.924 97.5 48.0 -50.7 -55.6 52.9 48.7 48.6 73 70 A D H > S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.861 114.6 46.2 -57.7 -38.9 52.4 49.5 52.3 74 71 A F H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.938 108.3 55.0 -71.5 -45.5 48.6 49.0 52.0 75 72 A F H < S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 3,-0.2 0.932 109.3 48.8 -51.2 -49.2 48.9 45.8 50.0 76 73 A Q H < S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 113.9 45.4 -62.7 -31.7 51.1 44.3 52.7 77 74 A S H < S+ 0 0 90 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.753 138.8 0.2 -82.8 -24.6 48.7 45.3 55.5 78 75 A D < + 0 0 57 -4,-2.4 4,-0.4 -3,-0.2 -1,-0.3 -0.596 60.1 175.8-167.3 96.5 45.6 44.1 53.6 79 76 A P > + 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.544 62.1 91.5 -82.0 -9.9 45.9 42.5 50.1 80 77 A L H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 83.5 54.5 -54.3 -45.0 42.2 41.6 49.7 81 78 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.960 111.4 43.5 -54.8 -53.5 41.3 44.9 47.9 82 79 A F H > S+ 0 0 4 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.910 113.0 52.3 -58.2 -44.8 44.0 44.4 45.3 83 80 A Y H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.849 108.8 52.0 -59.1 -35.9 43.0 40.8 44.8 84 81 A T H X S+ 0 0 27 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.859 111.4 45.2 -69.0 -38.5 39.4 41.9 44.3 85 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.831 109.8 56.1 -74.1 -33.0 40.4 44.4 41.6 86 83 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.926 104.0 54.0 -63.9 -43.4 42.7 41.8 40.0 87 84 A K H < S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.4 39.5 -57.9 -39.7 39.7 39.4 39.7 88 85 A E H < S+ 0 0 78 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 123.6 38.0 -81.3 -32.7 37.7 42.1 37.9 89 86 A L H < S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.390 79.3 139.5-101.8 4.2 40.5 43.5 35.8 90 87 A Y >< - 0 0 24 -4,-1.6 3,-1.7 -5,-0.1 4,-0.2 -0.168 63.7 -96.5 -54.7 137.2 42.4 40.4 34.8 91 88 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 -0.260 110.0 38.5 -54.1 130.6 43.6 40.2 31.2 92 89 A G T 3 S+ 0 0 41 29,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.192 86.9 95.0 111.2 -16.3 41.3 38.2 29.0 93 90 A N S < S+ 0 0 95 -3,-1.7 2,-0.2 -4,-0.1 -3,-0.1 0.575 89.8 40.7 -80.7 -12.1 38.1 39.5 30.6 94 91 A F S S- 0 0 37 -4,-0.2 -2,-0.2 27,-0.1 -51,-0.1 -0.789 76.5-125.5-130.6 173.2 37.9 42.2 27.9 95 92 A R - 0 0 163 -53,-0.4 28,-0.1 -2,-0.2 32,-0.1 -0.888 35.3 -91.7-122.1 153.1 38.4 42.6 24.1 96 93 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -57,-0.1 -0.258 37.5-128.1 -62.8 144.6 40.6 45.1 22.1 97 94 A S > - 0 0 5 -59,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.373 28.8-101.3 -87.1 171.1 39.2 48.4 20.9 98 95 A K H > S+ 0 0 17 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.854 124.6 54.8 -60.6 -36.2 39.4 49.7 17.4 99 96 A F H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.904 103.6 55.5 -65.0 -39.3 42.3 52.0 18.4 100 97 A H H >> S+ 0 0 0 -62,-0.3 4,-1.1 1,-0.3 3,-0.5 0.907 107.8 48.5 -57.8 -43.5 44.1 49.0 19.7 101 98 A Y H 3X S+ 0 0 44 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.743 100.1 66.5 -68.6 -24.4 43.8 47.3 16.3 102 99 A L H 3X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.874 99.2 52.3 -63.1 -37.4 45.0 50.6 14.7 103 100 A L H S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.3 6,-0.7 0.834 107.8 52.6 -59.3 -34.2 50.6 50.1 11.8 107 104 A Q H ><5S+ 0 0 21 -4,-1.7 3,-0.8 3,-0.2 -1,-0.3 0.851 109.8 48.9 -70.1 -34.1 52.7 47.1 12.7 108 105 A D H 3<5S+ 0 0 84 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.854 110.3 49.8 -72.5 -35.7 51.5 45.4 9.5 109 106 A K T 3<5S- 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.276 112.0-124.1 -85.6 11.8 52.3 48.5 7.4 110 107 A D T < 5S+ 0 0 111 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.788 81.9 115.2 50.1 32.9 55.7 48.5 9.1 111 108 A V < + 0 0 16 -5,-2.8 -81,-2.8 -6,-0.2 2,-0.6 0.185 44.8 99.9-113.3 16.3 55.2 52.1 10.3 112 109 A L E +a 30 0A 4 -6,-0.7 -81,-0.2 -83,-0.2 3,-0.1 -0.905 36.5 169.1-107.4 115.7 55.2 51.3 14.0 113 110 A K E - 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0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 -25,-0.1 -0.513 54.3-111.3 -66.6 129.1 51.2 44.0 18.7 130 127 A K > - 0 0 126 -2,-0.2 3,-0.7 1,-0.1 4,-0.4 -0.246 15.3-119.7 -64.1 148.3 54.6 42.1 18.9 131 128 A D G > S+ 0 0 108 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.882 110.9 60.3 -53.5 -45.0 56.5 42.0 22.2 132 129 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.2 -18,-0.0 -3,-0.0 0.877 106.6 47.4 -53.2 -40.4 59.5 43.7 20.7 133 130 A L G < S+ 0 0 23 -3,-0.7 -18,-1.9 -19,-0.1 2,-0.4 0.426 98.6 88.8 -83.9 0.5 57.4 46.8 19.9 134 131 A I E < -c 115 0A 11 -3,-1.7 2,-0.4 -4,-0.4 -18,-0.2 -0.809 46.8-174.9-108.1 140.8 55.7 47.1 23.3 135 132 A I E -c 116 0A 12 -20,-1.9 -18,-2.3 -2,-0.4 2,-1.5 -0.879 4.2-171.0-132.1 98.5 56.7 48.9 26.5 136 133 A E E > -c 117 0A 27 -2,-0.4 3,-2.2 1,-0.2 -18,-0.2 -0.682 9.0-175.9 -90.4 80.9 54.3 48.2 29.4 137 134 A A T 3 S+ 0 0 0 -2,-1.5 -1,-0.2 -20,-1.2 -19,-0.2 0.672 79.1 44.3 -53.9 -25.2 55.8 50.9 31.7 138 135 A H T 3 S- 0 0 0 -21,-0.5 47,-2.9 1,-0.4 -1,-0.3 0.155 111.3-123.1-109.1 18.9 53.6 49.9 34.7 139 136 A G E < -G 184 0C 12 -3,-2.2 -1,-0.4 45,-0.3 45,-0.3 -0.185 23.5-121.5 75.3-166.8 54.0 46.2 34.3 140 137 A S E - 0 0 3 43,-1.1 3,-0.3 3,-0.1 43,-0.2 -0.879 26.1 -97.0-158.5-172.8 51.4 43.5 33.8 141 138 A F E S+ 0 0 4 -21,-0.3 18,-0.1 -2,-0.3 17,-0.1 0.462 97.1 94.8 -96.0 -4.5 49.9 40.3 35.2 142 139 A A E S+ 0 0 50 41,-0.1 2,-0.3 40,-0.1 -1,-0.2 0.704 91.2 35.1 -60.6 -20.3 52.0 38.2 32.8 143 140 A H E - 0 0 125 -3,-0.3 40,-3.5 11,-0.1 2,-0.3 -0.927 66.7-165.2-133.8 159.1 54.7 37.9 35.6 144 141 A C E +GH 182 153C 2 9,-0.8 9,-2.4 -2,-0.3 2,-0.3 -0.989 10.0 173.3-143.1 147.0 54.7 37.5 39.3 145 142 A H E -GH 181 152C 55 36,-2.4 36,-2.5 -2,-0.3 2,-0.3 -0.981 38.3 -94.9-151.9 160.5 57.4 37.9 42.0 146 143 A C E > -G 180 0C 2 5,-1.8 4,-0.7 -2,-0.3 34,-0.2 -0.617 25.4-144.3 -77.1 134.4 57.9 37.9 45.8 147 144 A I T 4 S+ 0 0 38 32,-2.4 -1,-0.1 -2,-0.3 33,-0.1 0.553 97.1 42.4 -76.6 -4.9 57.9 41.5 47.1 148 145 A G T 4 S+ 0 0 51 31,-0.3 -1,-0.1 3,-0.1 32,-0.1 0.856 131.5 9.8-105.0 -55.6 60.5 40.3 49.7 149 146 A C T 4 S- 0 0 65 2,-0.1 -2,-0.1 29,-0.1 0, 0.0 0.580 90.3-124.9-104.5 -14.3 63.1 38.1 48.0 150 147 A G < + 0 0 42 -4,-0.7 -3,-0.1 1,-0.2 30,-0.0 0.461 47.3 163.2 86.1 -0.2 62.2 38.5 44.4 151 148 A K - 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